Articles with public access mandates - Sonia CorianiLearn more
Not available anywhere: 13
Dynamical photoionization observables of the CS molecule: The role of electron correlation
A Ponzi, C Angeli, R Cimiraglia, S Coriani, P Decleva
The Journal of Chemical Physics 140 (20), 2014
Mandates: European Commission, Government of Italy
Lanczos-driven coupled–cluster damped linear response theory for molecules in polarizable environments
NH List, S Coriani, J Kongsted, O Christiansen
The Journal of Chemical Physics 141 (24), 2014
Mandates: Danish Council for Independent Research
A study of the valence shell electronic states of pyridazine by photoabsorption spectroscopy and time-dependent density functional theory calculations
DMP Holland, DA Shaw, S Coriani, M Stener, P Decleva
Journal of Physics B: Atomic, Molecular and Optical Physics 46 (17), 175103, 2013
Mandates: Government of Italy
Accurate nonlinear optical properties for small molecules: Methods and results
O Christiansen, S Coriani, J Gauss, C Hättig, P JØrgensen, F Pawłowski, ...
Non-Linear Optical Properties of Matter: From Molecules to Condensed Phases …, 2006
Mandates: German Research Foundation
Identifying the Hamiltonian structure in linear response theory
NH List, S Coriani, O Christiansen, J Kongsted
The Journal of Chemical Physics 140 (22), 2014
Mandates: Danish Council for Technology and Innovation
On the absolute configuration of chiral 1, 4-dihydropyridazines synthesized by organocatalysed reactions
N Lin, C Forzato, F Berti, F Felluga, P Nitti, G Pitacco, S Coriani
The Journal of Organic Chemistry 78 (23), 11670-11679, 2013
Mandates: Government of Italy
Polypharmacology-Labeled Molecular Networking: An Analytical Technology Workflow for Accelerated Identification of Multiple Bioactive Constituents in Complex Extracts
Y Zhao, O Gericke, T Li, L Kjaerulff, KT Kongstad, AM Heskes, BL Møller, ...
Analytical Chemistry 95 (9), 4381-4389, 2023
Mandates: Danish Council for Technology and Innovation, Danish Council for Independent …
Molecular Photoionization and Photodetachment Cross Sections Based on L2 Basis Sets: Theory and Selected Examples
BNC Tenorio, S Coriani, AB Rocha, MAC Nascimento
Advances in Methods and Applications of Quantum Systems in Chemistry …, 2021
Mandates: Danish Council for Independent Research
Molecular dipole moments within the incremental scheme using the domain-specific basis-set approach
B Fiedler, S Coriani, J Friedrich
Journal of Chemical Theory and Computation 12 (7), 3040-3052, 2016
Mandates: German Research Foundation
Orthogonal Reversed-Phase C18 and Pentafluorophenyl HPLC Separation for Phytochemical Profiling of Serrulatanes in Eremophila denticulata
Y Zhao, T Li, L Kjaerulff, H Venter, S Coriani, BL Møller, S Semple, ...
Journal of Natural Products 86 (12), 2638-2650, 2023
Mandates: Danish Council for Technology and Innovation, Danish Council for Independent …
A study of the valence shell electronic structure and photoionisation dynamics of s-triazine
S Coriani, M Stener, P Decleva, DMP Holland, AW Potts, L Karlsson
Chemical Physics 450, 115-124, 2015
Mandates: Government of Italy
Genome-Driven Discovery of Hygrocins in Streptomyces rapamycinicus
MM Mahmoud Mohamed, Z Yang, KY Lum, G Peschel, MA Rosenbaum, ...
Journal of Natural Products 87 (5), 1321-1329, 2024
Mandates: Danish Council for Independent Research, Villum Foundation
Electronic Characterization of Glycolaldehyde: Experimental and Theoretical Insights from the Core-and Valence-Level Spectroscopy
SD Folkestad, AC Paul, A Ponzi, C Grazioli, M Coreno, M de Simone, ...
The Journal of Physical Chemistry A 127 (50), 10621-10631, 2023
Mandates: Danish Council for Independent Research, European Commission, Research …
Available somewhere: 109
TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations
SG Balasubramani, GP Chen, S Coriani, M Diedenhofen, MS Frank, ...
The Journal of chemical physics 152 (18), 2020
Mandates: US National Science Foundation, US Department of Energy, US National …
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ...
The Journal of chemical physics 155 (8), 2021
Mandates: US National Science Foundation, US Department of Energy, US Department of …
Communication: X-ray absorption spectra and core-ionization potentials within a core-valence separated coupled cluster framework
S Coriani, H Koch
The Journal of Chemical Physics 143 (18), 2015
Mandates: European Commission
Probing ultrafast ππ*/nπ* internal conversion in organic chromophores via K-edge resonant absorption
TJA Wolf, RH Myhre, JP Cryan, S Coriani, RJ Squibb, A Battistoni, ...
Nature communications 8 (1), 29, 2017
Mandates: US Department of Energy, Volkswagen Foundation, Knut and Alice Wallenberg …
New and efficient equation-of-motion coupled-cluster framework for core-excited and core-ionized states
ML Vidal, X Feng, E Epifanovsky, AI Krylov, S Coriani
Journal of Chemical Theory and Computation 15 (5), 3117-3133, 2019
Mandates: US National Science Foundation, Danish Council for Independent Research …
Coupled-cluster response theory for near-edge x-ray-absorption fine structure of atoms and molecules
S Coriani, O Christiansen, T Fransson, P Norman
Physical Review A—Atomic, Molecular, and Optical Physics 85 (2), 022507, 2012
Mandates: Swedish Research Council
Asymmetric-Lanczos-chain-driven implementation of electronic resonance convergent coupled-cluster linear response theory
S Coriani, T Fransson, O Christiansen, P Norman
Journal of chemical theory and computation 8 (5), 1616-1628, 2012
Mandates: Swedish Research Council
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